Potassium bicarbonate - ≥99.7% metals basis , CAS No.298-14-6

CAS: 298-14-6 Cat. No.: P777699 分子式: KHCO₃ 分子量: 100.12 Beilstein Registry Number: 4535309 EC番号: 206-059-0

グレード＆純度 ≥99.7% metals basis

Storage

Room temperature

Shipped In

Normal

概要

Potassium bicarbonate is water soluble alkaline potassium salt with monoclinic crystalline structure. It is a raw material for the synthesis of many potassium compounds. It is a better coolant than sodium bicarbonate in the aerosol fire extinguishing apparatus. It shows potential as an antifungal agent.

Potassium bicarbonate may be used as a catalyst in the synthesis of dimethyl carbonate (DMC) by reacting with propylene oxide (PO), supercritical CO2 (SC CO2) and methanol.It may also be used as a nucleophile for synthesizing branched allylic alcohols in the presence of iridium catalyst.

仕様

仕様と純度

≥99.7% metals basis

保管条件

Room temperature

入荷

Normal

純度

≥99.7% metals basis

名前と識別子

カノニカル・スマイル

C(=O)(O)[O-].[K+]

IUPAC Name

potassium;hydrogen carbonate

InChIKey

TYJJADVDDVDEDZ-UHFFFAOYSA-M

INCHI

1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1

異性体SMILES

C(=O)(O)[O-].[K+]

WGKドイツ

1

分子量

100.12

Beilstein

4535309

Reaxy-Rn

4535309

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4535309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Carbonate salts Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonate salt - Carbonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
• External Descriptors: potassium salt - organic salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

化学的性質と物理的性質

• 溶解度: Soluble in water. Insoluble in alcohol.
• 感度: Moisture sensitive.
• 屈折率: 1.482
• 分子量: 100.115 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 99.9563 Da
• Monoisotopic Mass: 99.9563 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 33.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3